SCHEMBL5019119

SCHEMBL5019119

CNCCN(CCCCC(=O)O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
NCOR2 Q9Y618 2/20 0.57
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KDM4A O75164 3/20 0.50
KDM4C Q9H3R0 3/20 0.50
APP P05067 4/20 0.49
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25181480 0.86 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL25180614 0.86 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL4327317 0.85 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL5019149 0.84 HDAC3 (0.50) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL15456409 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL13068773 0.83 HDAC3 (0.59) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL15862571 0.83 HDAC3 (0.58) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL14376730 0.82 BCHE (0.72) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL14376142 0.81 BCHE (0.74) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL14376731 0.81 BCHE (0.74) HDAC1HDAC3HDAC2HDAC8NCOR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC1 852/4885HDAC3 1047/4885HDAC2 1977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.